N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine

C14H28N2O — CID 83073468

IUPACN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCCC1(CN(C)CC2CCCCO2)CCCN1
InChIInChI=1S/C14H28N2O/c1-3-14(8-6-9-15-14)12-16(2)11-13-7-4-5-10-17-13/h13,15H,3-12H2,1-2H3
InChIKeyMNJIOFIPCSSLFX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.02
Rot. Bonds5

About N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine

N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 83073468) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID83073468
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCCC1(CN(C)CC2CCCCO2)CCCN1
InChIInChI=1S/C14H28N2O/c1-3-14(8-6-9-15-14)12-16(2)11-13-7-4-5-10-17-13/h13,15H,3-12H2,1-2H3
InChIKeyMNJIOFIPCSSLFX-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(oxan-2-ylmethyl)pyrrolidine
CID 117271043
1-cyclobutyl-N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methylmethanamine
CID 83073335
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 83074027
1-[[methyl(oxan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 61436218
N-[(2-ethylpyrrolidin-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 83074640
N-[[1-(aminomethyl)cyclopentyl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
CID 62257278
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436
[4-[[methyl(oxan-2-ylmethyl)amino]methyl]oxan-4-yl]methanol
CID 62391719
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopropan-1-amine
CID 65458658
N-methyl-N-[[1-(methylaminomethyl)cyclopentyl]methyl]-1-(oxan-2-yl)methanamine
CID 62256760
N-methyl-N-(oxepan-2-ylmethyl)propan-1-amine
CID 169307437
1-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-amine
CID 61435770

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (CID 83073468) is N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is CCC1(CN(C)CC2CCCCO2)CCCN1.
What is the InChIKey of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is MNJIOFIPCSSLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-3-14(8-6-9-15-14)12-16(2)11-13-7-4-5-10-17-13/h13,15H,3-12H2,1-2H3.
What are the key properties of N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 240.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 83073468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).